1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one

C22H22N6O3 — CID 144871974

IUPAC1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
SMILESCC1OC(=O)c2c1ccnc2NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C22H22N6O3/c1-14-16-8-9-23-20(19(16)22(30)31-14)26-15-5-4-12-27(13-15)21(29)17-6-2-3-7-18(17)28-24-10-11-25-28/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,23,26)
InChIKeySOQFVERVNBRNIY-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.61
Rot. Bonds4

About 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one

1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one (PubChem CID 144871974) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
PubChem CID144871974
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one
SMILESCC1OC(=O)c2c1ccnc2NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C22H22N6O3/c1-14-16-8-9-23-20(19(16)22(30)31-14)26-15-5-4-12-27(13-15)21(29)17-6-2-3-7-18(17)28-24-10-11-25-28/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,23,26)
InChIKeySOQFVERVNBRNIY-UHFFFAOYSA-N
XLogP2.61
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 16726210
methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
5-Isopropyl-4-(3-methoxycarbamoyl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 10386095
4-Benzylamino-5-ethyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
CID 44403081
Ethyl 4-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 44449859
Methyl 5-methyl-4-[2-methyl-5-(methylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755185
Methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755187
Methyl 4-[5-(ethoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755189
1-[4-[(1-methyltriazol-4-yl)methoxymethyl]-2-pyridinyl]-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 155548654
Ethyl 2-(2-{3-oxo-2-phenyl-1H,2H,3H-pyrazolo[3,4-B]pyridin-1-YL}acetamido)benzoate
CID 16025326
ethyl 4-[4-(2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162651862
Methyl 4-[[5-[(ethylamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755188

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one (CID 144871974) is 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one is CC1OC(=O)c2c1ccnc2NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is SOQFVERVNBRNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-14-16-8-9-23-20(19(16)22(30)31-14)26-15-5-4-12-27(13-15)21(29)17-6-2-3-7-18(17)28-24-10-11-25-28/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,23,26).
What are the key properties of 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one?
1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 418.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 144871974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).